(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate

C7H6ClFN2O2 — CID 175348088

IUPAC(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
SMILESCc1c(OC(N)=O)cnc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O2/c1-3-4(13-7(10)12)2-11-6(8)5(3)9/h2H,1H3,(H2,10,12)
InChIKeyDTTPMTRLLKQQQJ-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.64
Rot. Bonds1

About (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate

(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate (PubChem CID 175348088) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate.

Molecular Properties

Compound Name(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
PubChem CID175348088
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
SMILESCc1c(OC(N)=O)cnc(Cl)c1F
InChIInChI=1S/C7H6ClFN2O2/c1-3-4(13-7(10)12)2-11-6(8)5(3)9/h2H,1H3,(H2,10,12)
InChIKeyDTTPMTRLLKQQQJ-UHFFFAOYSA-N
XLogP1.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate?
The IUPAC name of (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate (CID 175348088) is (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate.
What is the SMILES notation for (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate?
The canonical SMILES for (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate is Cc1c(OC(N)=O)cnc(Cl)c1F.
What is the InChIKey of (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate?
The InChIKey is DTTPMTRLLKQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c1-3-4(13-7(10)12)2-11-6(8)5(3)9/h2H,1H3,(H2,10,12).
What are the key properties of (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate?
(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate has a molecular weight of 204.59 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate is sourced from PubChem (CID 175348088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).